Geometry & MOs

Info

ID:	414453
PubChem CID:	135087411
Reduced:	O5N8C38H50 (1)
Stoich.:	A5B8C38D50 (1)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	-175.29
Dipole, Da:	3.06
IP(EA), eV:	-9.55(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=NN=C5N4CCCCC5

DOS

IR

Vibrations